methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate

C11H9FN2O3 — CID 1490785

IUPACmethyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O3/c1-17-11(16)9-6-10(15)14(13-9)8-4-2-7(12)3-5-8/h2-6,13H,1H3
InChIKeyUQWJQRBYNJRULD-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.09
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate

methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate (PubChem CID 1490785) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
PubChem CID1490785
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2O3/c1-17-11(16)9-6-10(15)14(13-9)8-4-2-7(12)3-5-8/h2-6,13H,1H3
InChIKeyUQWJQRBYNJRULD-UHFFFAOYSA-N
XLogP1.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate
CID 2740352
methyl (5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate
CID 715399
5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 9167391
ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 4056539
methyl 2-[1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetate
CID 4962312
methyl 3-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 2738974
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 341367
1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 21520729
Methyl 4-(4-fluoroanilino)-4-oxo-2-butenoate
CID 851802
methyl 2-(3,5-dichlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 2738980
methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
CID 2748711
1-(4-fluorophenyl)-3-propyl-1H-pyrazol-5-ol
CID 748095

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate (CID 1490785) is methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate is COC(=O)c1cc(=O)n(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate?
The InChIKey is UQWJQRBYNJRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-11(16)9-6-10(15)14(13-9)8-4-2-7(12)3-5-8/h2-6,13H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate?
methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate has a molecular weight of 236.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 1490785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).